ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate

C14H16N4O5 — CID 15778198

IUPACethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate
SMILESCCOC(=O)C1=NN(C)c2cn[nH]c(=O)c2C12CCCOC2=O
InChIInChI=1S/C14H16N4O5/c1-3-22-12(20)10-14(5-4-6-23-13(14)21)9-8(18(2)17-10)7-15-16-11(9)19/h7H,3-6H2,1-2H3,(H,16,19)
InChIKeyJDODTCUTNLAPFX-UHFFFAOYSA-N
MW320.31 g/mol
LogP-0.29
Rot. Bonds2

About ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate

ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate (PubChem CID 15778198) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate
PubChem CID15778198
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Nameethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate
SMILESCCOC(=O)C1=NN(C)c2cn[nH]c(=O)c2C12CCCOC2=O
InChIInChI=1S/C14H16N4O5/c1-3-22-12(20)10-14(5-4-6-23-13(14)21)9-8(18(2)17-10)7-15-16-11(9)19/h7H,3-6H2,1-2H3,(H,16,19)
InChIKeyJDODTCUTNLAPFX-UHFFFAOYSA-N
XLogP-0.29
TPSA113.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate?
The IUPAC name of ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate (CID 15778198) is ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate is CCOC(=O)C1=NN(C)c2cn[nH]c(=O)c2C12CCCOC2=O.
What is the InChIKey of ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate?
The InChIKey is JDODTCUTNLAPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-3-22-12(20)10-14(5-4-6-23-13(14)21)9-8(18(2)17-10)7-15-16-11(9)19/h7H,3-6H2,1-2H3,(H,16,19).
What are the key properties of ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate?
ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate has a molecular weight of 320.31 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2',5-dioxospiro[6H-pyridazino[4,5-c]pyridazine-4,3'-oxane]-3-carboxylate is sourced from PubChem (CID 15778198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).